https://doi.org/10.1140/epjb/s10051-022-00341-w
Regular Article - Solid State and Materials
Effects of strains on electronic and magnetic properties in V-, Cr- and Mn-doped GaSb
School of Physics and Electronic-Electrical Engineering, Ningxia University, 750021, Yinchuan, Ningxia, China
Received:
6
December
2021
Accepted:
25
April
2022
Published online:
10
May
2022
To explore effective means to raise Curie temperature (TC) of diluted magnetic semiconductors (DMSs), we studied the effects of strains on electronic and magnetic properties of V-, Cr- and Mn-doped GaSb by first-principles calculations, systematically. Results indicated that VGa, CrGa and MnGa substitutions can induce 2.0 
, 3.0 and 4.0 total local magnetic moments, respectively, which are not affected by strains, while the moments contributed by V-d, Cr-d and Mn-d electrons increase with increasing strains. Magnetic interactions between VGas for nearest-neighbors (N) and next neared-neighbors (NN) structures are always anti-ferromagnetic (AFM) even with strain. The magnetic couplings of CrGa-CrGa and MnGa-MnGa are ferromagnetic (FM), which can be explained by double-exchange and p–d exchange models, respectively. The large energy differences between AFM and FM states indicate stable ferromagnetism for Cr-doped and Mn-doped GaSb systems. In particular, the compressive strains can enhance FM coupling strengths for NN CrGa–CrGa and MnGa–MnGa compared with that in un-deformed structures. These results may provide newer insights into the regulation of modulating magnetic properties in GaSb.
© The Author(s), under exclusive licence to EDP Sciences, SIF and Springer-Verlag GmbH Germany, part of Springer Nature 2022
